SCHEMBL960152

SCHEMBL960152

Clc1ccc(Cl)c(Oc2cccc(Cl)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 3/20 0.44
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
PTGER1 P34995 1/20 0.41
GRM4 Q14833 1/20 0.39
MAPT P10636 1/20 0.38
GPBAR1 Q8TDU6 3/20 0.36
NOS2 P35228 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
MAP4K4 O95819 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EGFR P00533 1/20 0.35
ERBB3 P21860 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL958410 0.86 MAPT (0.47) RHEBGAALMNAHTTL3MBTL1
SCHEMBL958698 0.80 ALDH1A1 (0.53) LMNAHTTMEN1KMT2AL3MBTL1
SCHEMBL28165771 0.76 CYP2C19 (0.47) RHEBGAALMNACYP1A2CYP2C9
SCHEMBL959384 0.75 L3MBTL1 (0.57) RHEBCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL9488215 0.74 RHEB (0.55) RHEBGAALMNACYP1A2CYP2C9
SCHEMBL958339 0.74 MEN1 (0.51) HTTMEN1KMT2AL3MBTL1
SCHEMBL9493242 0.74 L3MBTL1 (0.42) GAACYP1A2HTTL3MBTL1GRM4
SCHEMBL11687779 0.73 GRM4 (0.48) GAAHTTMEN1KMT2AL3MBTL1
SCHEMBL7014869 0.73 GRM4 (0.38) KMT2AL3MBTL1GRM4MAP4K4
SCHEMBL19484574 0.73 LMNA (0.54) RHEBGAALMNACYP1A2CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 RHEB 2530/4885GAA 4197/4885LMNA 4498/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.